2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

C10H10N2O2 — CID 117223851

IUPAC2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCc1cnc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C10H10N2O2/c1-7-4-8-2-3-12(6-9(13)14)10(8)11-5-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyYMGOJVGOPCIUMU-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.43
Rot. Bonds2

About 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (PubChem CID 117223851) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
PubChem CID117223851
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCc1cnc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C10H10N2O2/c1-7-4-8-2-3-12(6-9(13)14)10(8)11-5-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyYMGOJVGOPCIUMU-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061378
(2R)-1-(5-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-amine
CID 170000384
2-[5-[2-[3-(3-methoxyphenyl)phenyl]ethoxy]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 134809708
2-(6-chloro-5-methylindol-1-yl)acetic acid
CID 83944399
1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 117275923
1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
CID 153402378
2-[2-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061424
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 166517849
2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone
CID 141178949
5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
CID 66907523

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (CID 117223851) is 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is Cc1cnc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The InChIKey is YMGOJVGOPCIUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-4-8-2-3-12(6-9(13)14)10(8)11-5-7/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 117223851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).